2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine

C14H15ClIN3 — CID 107608546

IUPAC2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
SMILESClc1cc(I)ccc1-n1cncc1C1CCCCN1
InChIInChI=1S/C14H15ClIN3/c15-11-7-10(16)4-5-13(11)19-9-17-8-14(19)12-3-1-2-6-18-12/h4-5,7-9,12,18H,1-3,6H2
InChIKeyZONYVUIVEVXCQZ-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.94
Rot. Bonds2

About 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine

2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine (PubChem CID 107608546) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
PubChem CID107608546
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
SMILESClc1cc(I)ccc1-n1cncc1C1CCCCN1
InChIInChI=1S/C14H15ClIN3/c15-11-7-10(16)4-5-13(11)19-9-17-8-14(19)12-3-1-2-6-18-12/h4-5,7-9,12,18H,1-3,6H2
InChIKeyZONYVUIVEVXCQZ-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
CID 107641180
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
N,N-dimethyl-2-(5-piperidin-2-ylimidazol-1-yl)aniline
CID 106761198
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine (CID 107608546) is 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine is Clc1cc(I)ccc1-n1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine?
The InChIKey is ZONYVUIVEVXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c15-11-7-10(16)4-5-13(11)19-9-17-8-14(19)12-3-1-2-6-18-12/h4-5,7-9,12,18H,1-3,6H2.
What are the key properties of 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine?
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine has a molecular weight of 387.65 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 107608546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).